Computational prediction of the phase transformation of two As-synthesized oxyfluorinated compounds into the zeotype CHA forms

Angewandte Chemie - International Edition

Volumn 41, Issue 6, 2002, Pages 972-975

  Girard, Stéphanie ^a   Tuel, Alain ^b   Mellot Draznieks, Caroline ^a   Férey, Gérard ^a  

^a LABORATOIRE DES SCIENCES DU CLIMAT ET DE L ENVIRONNEMENT   (France)

^b INST DE RECHERCHES SUR LA CATALYSE   (France)

Author keywords

Aluminum; Calcination; Computer chemistry; Materials; Microporous; Zeolites

Indexed keywords

CALCINATION; COMPUTER AIDED ANALYSIS; DEHYDRATION; FLUORINE; MICROPOROUS MATERIALS; OXYGEN; SYNTHESIS (CHEMICAL); ALUMINUM; INORGANIC COMPOUNDS; ZEOLITES;

DEFLUORINATION; COMPUTATIONAL PREDICTIONS; COMPUTER CHEMISTRY; LATTICE ENERGY MINIMIZATION; MICRO-POROUS STRUCTURE; ZEOTYPE;

PHASE TRANSITIONS;

FLUORINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; DECOMPOSITION; ENERGY; FLUORINATION; MATHEMATICAL COMPUTING; MOLECULAR STABILITY; PHASE TRANSITION;

EID: 0037087603     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3773(20020315)41:6<972::AID-ANIE972>3.0.CO;2-5     Document Type: Article

References (20)